2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid

C12H9N3O2S — CID 63032970

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ncsc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C12H9N3O2S/c1-6-10(18-5-13-6)11-14-8-4-2-3-7(12(16)17)9(8)15-11/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyLXCMKDYBBFIYGS-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid

2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 63032970) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID63032970
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ncsc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C12H9N3O2S/c1-6-10(18-5-13-6)11-14-8-4-2-3-7(12(16)17)9(8)15-11/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyLXCMKDYBBFIYGS-UHFFFAOYSA-N
XLogP2.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63032984
2-(4-carboxy-1H-benzimidazol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 67915177
5-(4-chloro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 60978144
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-(2-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81477808
2-(3-methylfuran-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 63030741
2-pyrazin-2-yl-1H-benzimidazole-4-carboxylic acid
CID 63032968
2-(1H-pyrrol-2-yl)-1H-benzimidazole-4-carboxylic acid
CID 66984814
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-(2-bromo-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 81111649
2-(2-chloro-4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 106861840
2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylic acid
CID 55150088

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid (CID 63032970) is 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid is Cc1ncsc1-c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is LXCMKDYBBFIYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-6-10(18-5-13-6)11-14-8-4-2-3-7(12(16)17)9(8)15-11/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid?
2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 259.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63032970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).